3-butyl-7-methyl-8-(quinazolin-4-ylsulfanylmethyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-methyl-8-(quinazolin-4-ylsulfanylmethyl)purine-2,6-dione Openeye Name: 3-butyl-7-methyl-8-(quinazolin-4-ylsulfanylmethyl)purine-2,6-dione CAS Name: 3-butyl-7-methyl-8-[(4-quinazolinylthio)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-8-(quinazolin-4-ylsulfanylmethyl)purine-2,6-dione Traditional Name: 3-butyl-7-methyl-8-[(quinazolin-4-ylthio)methyl]xanthine Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC=NC4=CC=CC=C43)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC=NC4=CC=CC=C43)C

InChI

InChI=1S/C19H20N6O2S/c1-3-4-9-25-16-15(17(26)23-19(25)27)24(2)14(22-16)10-28-18-12-7-5-6-8-13(12)20-11-21-18/h5-8,11H,3-4,9-10H2,1-2H3,(H,23,26,27)