3-[7-butyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]propanenitrile

Systemtic Name: 3-[7-butyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]propanenitrile Openeye Name: 3-(7-butyl-3-isobutyl-2,6-dioxo-purin-1-yl)propanenitrile CAS Name: 3-[7-butyl-3-(2-methylpropyl)-2,6-dioxo-1-purinyl]propanenitrile IUPAC Name: 3-[7-butyl-3-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile Traditional Name: 3-(7-butyl-3-isobutyl-2,6-diketo-purin-1-yl)propionitrile Formula: C16H23N5O2 MolecularWeight: 317.38612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CCC#N

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CCC#N

InChI

InChI=1S/C16H23N5O2/c1-4-5-8-19-11-18-14-13(19)15(22)20(9-6-7-17)16(23)21(14)10-12(2)3/h11-12H,4-6,8-10H2,1-3H3