8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-[(2-cyanophenyl)methyl]-6-oxidanylidene-purine-2-carbonitrile

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-[(2-cyanophenyl)methyl]-6-oxidanylidene-purine-2-carbonitrile Openeye Name: 8-(3-amino-1-piperidyl)-7-but-2-ynyl-1-[(2-cyanophenyl)methyl]-6-oxo-purine-2-carbonitrile CAS Name: 8-(3-amino-1-piperidinyl)-7-but-2-ynyl-1-[(2-cyanophenyl)methyl]-6-oxo-2-purinecarbonitrile IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-1-[(2-cyanophenyl)methyl]-6-oxopurine-2-carbonitrile Traditional Name: 8-(3-aminopiperidino)-7-but-2-ynyl-1-(2-cyanobenzyl)-6-keto-purine-2-carbonitrile Formula: C23H22N8O MolecularWeight: 426.47378

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)CC3=CC=CC=C3C#N)C#N)N=C1N4CCCC(C4)N

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)CC3=CC=CC=C3C#N)C#N)N=C1N4CCCC(C4)N

InChI

InChI=1S/C23H22N8O/c1-2-3-11-30-20-21(28-23(30)29-10-6-9-18(26)15-29)27-19(13-25)31(22(20)32)14-17-8-5-4-7-16(17)12-24/h4-5,7-8,18H,6,9-11,14-15,26H2,1H3