4-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(7-benzyl-3-methyl-2,6-dioxo-purin-1-yl)methyl]benzonitrile CAS Name: 4-[[3-methyl-2,6-dioxo-7-(phenylmethyl)-1-purinyl]methyl]benzonitrile IUPAC Name: 4-[(7-benzyl-3-methyl-2,6-dioxopurin-1-yl)methyl]benzonitrile Traditional Name: 4-[(7-benzyl-2,6-diketo-3-methyl-purin-1-yl)methyl]benzonitrile Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)C#N)N(C=N2)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)C#N)N(C=N2)CC4=CC=CC=C4

InChI

InChI=1S/C21H17N5O2/c1-24-19-18(25(14-23-19)12-16-5-3-2-4-6-16)20(27)26(21(24)28)13-17-9-7-15(11-22)8-10-17/h2-10,14H,12-13H2,1H3