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

Systemtic Name: 1-[3-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C22H25ClN6O3S MolecularWeight: 488.9903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C22H25ClN6O3S/c1-13(2)11-29-19(30)15-10-14(23)6-7-16(15)25-21(29)33-9-5-8-28-20(31)17-18(24-12-26(17)3)27(4)22(28)32/h6-7,10,12-13H,5,8-9,11H2,1-4H3