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

Systemtic Name: 4-[2-[8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoyl]naphthalene-2-carbonitrile Openeye Name: 4-[2-[8-(3-amino-1-piperidyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl]acetyl]naphthalene-2-carbonitrile CAS Name: 4-[2-[8-(3-amino-1-piperidinyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-1-purinyl]-1-oxoethyl]-2-naphthalenecarbonitrile IUPAC Name: 4-[2-[8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]acetyl]naphthalene-2-carbonitrile Traditional Name: 4-[2-[8-(3-aminopiperidino)-7-but-2-ynyl-2,6-diketo-3-methyl-purin-1-yl]acetyl]naphthalene-2-carbonitrile Formula: C28H27N7O3 MolecularWeight: 509.55908

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC(=O)C4=CC(=CC5=CC=CC=C54)C#N)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC(=O)C4=CC(=CC5=CC=CC=C54)C#N)C

InChI

InChI=1S/C28H27N7O3/c1-3-4-12-34-24-25(31-27(34)33-11-7-9-20(30)16-33)32(2)28(38)35(26(24)37)17-23(36)22-14-18(15-29)13-19-8-5-6-10-21(19)22/h5-6,8,10,13-14,20H,7,9,11-12,16-17,30H2,1-2H3