4-[(4-azanyl-2-azanylidene-1,7-dimethyl-pteridin-6-yl)methylamino]benzenecarbonitrile

Systemtic Name: 4-[(4-azanyl-2-azanylidene-1,7-dimethyl-pteridin-6-yl)methylamino]benzenecarbonitrile Openeye Name: 4-[(4-amino-2-imino-1,7-dimethyl-pteridin-6-yl)methylamino]benzonitrile CAS Name: 4-[(4-amino-2-imino-1,7-dimethyl-6-pteridinyl)methylamino]benzonitrile IUPAC Name: 4-[(4-amino-2-imino-1,7-dimethylpteridin-6-yl)methylamino]benzonitrile Traditional Name: 4-[(4-amino-2-imino-1,7-dimethyl-pteridin-6-yl)methylamino]benzonitrile Formula: C16H16N8 MolecularWeight: 320.35184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NC(=N)N2C)N)N=C1CNC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=NC2=C(C(=NC(=N)N2C)N)N=C1CNC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H16N8/c1-9-12(8-20-11-5-3-10(7-17)4-6-11)22-13-14(18)23-16(19)24(2)15(13)21-9/h3-6,20H,8H2,1-2H3,(H3,18,19,23)