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

Systemtic Name: 4-[[8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]naphthalene-1-carbonitrile Openeye Name: 4-[[8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl]methyl]naphthalene-1-carbonitrile CAS Name: 4-[[8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-3-methyl-2,6-dioxo-1-purinyl]methyl]-1-naphthalenecarbonitrile IUPAC Name: 4-[[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]methyl]naphthalene-1-carbonitrile Traditional Name: 4-[[8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-2,6-diketo-3-methyl-purin-1-yl]methyl]naphthalene-1-carbonitrile Formula: C27H27N7O2 MolecularWeight: 481.54898

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CC=C(C5=CC=CC=C45)C#N)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=CC=C(C5=CC=CC=C45)C#N)C

InChI

InChI=1S/C27H27N7O2/c1-3-4-14-33-23-24(30-26(33)32-13-7-8-20(29)17-32)31(2)27(36)34(25(23)35)16-19-12-11-18(15-28)21-9-5-6-10-22(19)21/h5-6,9-12,20H,7-8,13-14,16-17,29H2,1-2H3/t20-/m1/s1