VG9
概要
表記: | 6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE |
組成式: | C19 H24 N6 O2 |
電荷: | 0 |
化学式量: | 368.433 Da |
分子種別: | non-polymer |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 10.04 | 6-{[(2,5-diethoxyphenyl)amino]methyl}-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine |
OpenEye OEToolkits | 1.5.0 | 6-[[(2,5-diethoxyphenyl)amino]methyl]-5-methyl-pyrido[3,2-e]pyrimidine-2,4-diamine |
化合物記述子(線形表記)
種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | n1cc(c(c2c1nc(nc2N)N)C)CNc3cc(OCC)ccc3OCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1 |
SMILES | CACTVS | 3.341 | CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOc1ccc(c(c1)NCc2cnc3c(c2C)c(nc(n3)N)N)OCC |
SMILES | OpenEye OEToolkits | 1.5.0 | CCOc1ccc(c(c1)NCc2cnc3c(c2C)c(nc(n3)N)N)OCC |
InChI | InChI | 1.03 | InChI=1S/C19H24N6O2/c1-4-26-13-6-7-15(27-5-2)14(8-13)22-9-12-10-23-18-16(11(12)3)17(20)24-19(21)25-18/h6-8,10,22H,4-5,9H2,1-3H3,(H4,20,21,23,24,25) |
InChIKey | InChI | 1.03 | KKMWDWUZXFYKLD-UHFFFAOYSA-N |