8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-but-2-ynyl-3-methyl-1-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-7-but-2-ynyl-3-methyl-1-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-but-2-ynyl-3-methyl-1-(1-naphthylmethyl)xanthine Formula: C26H28N6O2 MolecularWeight: 456.53952

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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=CC5=CC=CC=C54)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C26H28N6O2/c1-3-4-15-31-22-23(28-25(31)30-14-8-12-20(27)17-30)29(2)26(34)32(24(22)33)16-19-11-7-10-18-9-5-6-13-21(18)19/h5-7,9-11,13,20H,8,12,14-17,27H2,1-2H3