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

Systemtic Name: 4-[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]-1,5-dimethyl-pyrrole-2-carbonitrile Openeye Name: 4-(3-butyl-7-methyl-2,6-dioxo-purin-8-yl)-1,5-dimethyl-pyrrole-2-carbonitrile CAS Name: 4-(3-butyl-7-methyl-2,6-dioxo-8-purinyl)-1,5-dimethyl-2-pyrrolecarbonitrile IUPAC Name: 4-(3-butyl-7-methyl-2,6-dioxopurin-8-yl)-1,5-dimethylpyrrole-2-carbonitrile Traditional Name: 4-(3-butyl-2,6-diketo-7-methyl-purin-8-yl)-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C17H20N6O2 MolecularWeight: 340.3797

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(N(C(=C3)C#N)C)C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(N(C(=C3)C#N)C)C)C

InChI

InChI=1S/C17H20N6O2/c1-5-6-7-23-15-13(16(24)20-17(23)25)22(4)14(19-15)12-8-11(9-18)21(3)10(12)2/h8H,5-7H2,1-4H3,(H,20,24,25)