3-[2-[(3-methoxyphenyl)amino]-8-pyrimidin-4-yl-purin-9-yl]propanenitrile

Systemtic Name: 3-[2-[(3-methoxyphenyl)amino]-8-pyrimidin-4-yl-purin-9-yl]propanenitrile Openeye Name: 3-[2-(3-methoxyanilino)-8-pyrimidin-4-yl-purin-9-yl]propanenitrile CAS Name: 3-[2-(3-methoxyanilino)-8-(4-pyrimidinyl)-9-purinyl]propanenitrile IUPAC Name: 3-[2-(3-methoxyanilino)-8-pyrimidin-4-ylpurin-9-yl]propanenitrile Traditional Name: 3-[2-(m-anisidino)-8-(4-pyrimidyl)purin-9-yl]propionitrile Formula: C19H16N8O MolecularWeight: 372.38334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=NC=NC=C4)CCC#N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=NC=NC=C4)CCC#N

InChI

InChI=1S/C19H16N8O/c1-28-14-5-2-4-13(10-14)24-19-22-11-16-18(26-19)27(9-3-7-20)17(25-16)15-6-8-21-12-23-15/h2,4-6,8,10-12H,3,9H2,1H3,(H,22,24,26)