5-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C19H17N7O2 MolecularWeight: 375.38398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

InChI

InChI=1S/C19H17N7O2/c1-12-14(9-20)15(26(22-12)13-7-5-4-6-8-13)10-25-11-21-17-16(25)18(27)24(3)19(28)23(17)2/h4-8,11H,10H2,1-3H3