5-[[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C19H16ClN7O2 MolecularWeight: 409.82904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C4=CC=CC=C4

InChI

InChI=1S/C19H16ClN7O2/c1-11-13(9-21)14(27(23-11)12-7-5-4-6-8-12)10-26-15-16(22-18(26)20)24(2)19(29)25(3)17(15)28/h4-8H,10H2,1-3H3