methyl 4-[1-[2,4-bis(azanyl)-5-methyl-pyrido[2,3-d]pyrimidin-6-yl]butan-2-yl]benzoate

Systemtic Name: methyl 4-[1-[2,4-bis(azanyl)-5-methyl-pyrido[2,3-d]pyrimidin-6-yl]butan-2-yl]benzoate Openeye Name: methyl 4-[1-[(2,4-diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-yl)methyl]propyl]benzoate CAS Name: 4-[1-(2,4-diamino-5-methyl-6-pyrido[2,3-d]pyrimidinyl)butan-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)butan-2-yl]benzoate Traditional Name: 4-[1-[(2,4-diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-yl)methyl]propyl]benzoic acid methyl ester Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CN=C2C(=C1C)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC(CC1=CN=C2C(=C1C)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H23N5O2/c1-4-12(13-5-7-14(8-6-13)19(26)27-3)9-15-10-23-18-16(11(15)2)17(21)24-20(22)25-18/h5-8,10,12H,4,9H2,1-3H3,(H4,21,22,23,24,25)