Catalog Number:
AG01B6A3
Chemical Name:
{1-[7-(but-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperidin-3-yl}urea
CAS Number:
1955514-80-3
Molecular Formula:
C26H29N9O3
Molecular Weight:
515.5670
MDL Number:
MFCD30181326
IUPAC Name:
[1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]urea
InChI:
InChI=1S/C26H29N9O3/c1-4-5-13-34-21-22(31-25(34)33-12-8-9-17(14-33)29-24(27)37)32(3)26(38)35(23(21)36)15-20-28-16(2)18-10-6-7-11-19(18)30-20/h6-7,10-11,17H,8-9,12-15H2,1-3H3,(H3,27,29,37)
InChI Key:
QWRPIDPNVOGFFM-UHFFFAOYSA-N
SMILES:
CC#CCn1c(nc2c1c(=O)n(Cc1nc(C)c3c(n1)cccc3)c(=O)n2C)N1CCCC(C1)NC(=O)N
