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

Systemtic Name: 1-[3-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(3-hexyl-4-oxo-2-quinazolinyl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(3-hexyl-4-keto-quinazolin-2-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C24H30N6O3S MolecularWeight: 482.5984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C24H30N6O3S/c1-4-5-6-9-13-29-21(31)17-11-7-8-12-18(17)26-23(29)34-15-10-14-30-22(32)19-20(25-16-27(19)2)28(3)24(30)33/h7-8,11-12,16H,4-6,9-10,13-15H2,1-3H3