4-[[6-azanyl-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[6-azanyl-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(6-amino-3-methyl-2,4-dioxo-pyrimidin-1-yl)methyl]benzonitrile CAS Name: 4-[(6-amino-3-methyl-2,4-dioxo-1-pyrimidinyl)methyl]benzonitrile IUPAC Name: 4-[(6-amino-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile Traditional Name: 4-[(6-amino-2,4-diketo-3-methyl-pyrimidin-1-yl)methyl]benzonitrile Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N(C1=O)CC2=CC=C(C=C2)C#N)N

Isomeric SMILES

CN1C(=O)C=C(N(C1=O)CC2=CC=C(C=C2)C#N)N

InChI

InChI=1S/C13H12N4O2/c1-16-12(18)6-11(15)17(13(16)19)8-10-4-2-9(7-14)3-5-10/h2-6H,8,15H2,1H3