2-[1-[8-(3-azanylpiperidin-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]-3-oxidanylidene-3-thiophen-3-yl-propyl]benzenecarbonitrile

Systemtic Name: 2-[1-[8-(3-azanylpiperidin-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]-3-oxidanylidene-3-thiophen-3-yl-propyl]benzenecarbonitrile Openeye Name: 2-[1-[8-(3-amino-1-piperidyl)-3-methyl-2,6-dioxo-purin-7-yl]-3-oxo-3-(3-thienyl)propyl]benzonitrile CAS Name: 2-[1-[8-(3-amino-1-piperidinyl)-3-methyl-2,6-dioxo-7-purinyl]-3-oxo-3-(3-thiophenyl)propyl]benzonitrile IUPAC Name: 2-[1-[8-(3-aminopiperidin-1-yl)-3-methyl-2,6-dioxopurin-7-yl]-3-oxo-3-thiophen-3-ylpropyl]benzonitrile Traditional Name: 2-[1-[8-(3-aminopiperidino)-2,6-diketo-3-methyl-purin-7-yl]-3-keto-3-(3-thienyl)propyl]benzonitrile Formula: C25H25N7O3S MolecularWeight: 503.5761

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC(C3)N)C(CC(=O)C4=CSC=C4)C5=CC=CC=C5C#N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC(C3)N)C(CC(=O)C4=CSC=C4)C5=CC=CC=C5C#N

InChI

InChI=1S/C25H25N7O3S/c1-30-22-21(23(34)29-25(30)35)32(24(28-22)31-9-4-6-17(27)13-31)19(11-20(33)16-8-10-36-14-16)18-7-3-2-5-15(18)12-26/h2-3,5,7-8,10,14,17,19H,4,6,9,11,13,27H2,1H3,(H,29,34,35)