2-[[8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]-4-methyl-quinoline-3-carbonitrile

Systemtic Name: 2-[[8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]-4-methyl-quinoline-3-carbonitrile Openeye Name: 2-[[8-(3-amino-1-piperidyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl]methyl]-4-methyl-quinoline-3-carbonitrile CAS Name: 2-[[8-(3-amino-1-piperidinyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-1-purinyl]methyl]-4-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[[8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]methyl]-4-methylquinoline-3-carbonitrile Traditional Name: 2-[[8-(3-aminopiperidino)-7-but-2-ynyl-2,6-diketo-3-methyl-purin-1-yl]methyl]-4-methyl-quinoline-3-carbonitrile Formula: C27H28N8O2 MolecularWeight: 496.56362

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=C4C#N)C)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=C4C#N)C)C

InChI

InChI=1S/C27H28N8O2/c1-4-5-13-34-23-24(31-26(34)33-12-8-9-18(29)15-33)32(3)27(37)35(25(23)36)16-22-20(14-28)17(2)19-10-6-7-11-21(19)30-22/h6-7,10-11,18H,8-9,12-13,15-16,29H2,1-3H3