Name: Name:4-oxo-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
Brand: Angene
SKU: AG019GTR
Rating: 90 (10 reviews)

4-oxo-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

CAS No.:

746610-48-0

Catalog Number:

AG019GTR

Molecular Formula:

C16H10N6O2S

Molecular Weight:

350.3546

Catalog Number:

AG019GTR

Chemical Name:

4-oxo-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

CAS Number:

746610-48-0

Molecular Formula:

C16H10N6O2S

Molecular Weight:

350.3546

MDL Number:

MFCD02673364

IUPAC Name:

4-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpyrido[1,2-a]pyrimidine-3-carbaldehyde

InChI:

InChI=1S/C16H10N6O2S/c23-10-12-14(17-13-8-4-5-9-21(13)15(12)24)25-16-18-19-20-22(16)11-6-2-1-3-7-11/h1-10H

InChI Key:

VKKBYUFPWVKCRL-UHFFFAOYSA-N

SMILES:

O=Cc1c(Sc2nnnn2c2ccccc2)nc2n(c1=O)cccc2

Complexity:

695

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

350.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

350.356g/mol

Monoisotopic Mass:

350.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

119A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7