1-[3-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C23H26N6O3S MolecularWeight: 466.55594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

InChI

InChI=1S/C23H26N6O3S/c1-26-14-24-19-18(26)21(31)28(23(32)27(19)2)12-7-13-33-22-25-17-11-6-5-10-16(17)20(30)29(22)15-8-3-4-9-15/h5-6,10-11,14-15H,3-4,7-9,12-13H2,1-2H3