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

Systemtic Name: 3-butyl-7-ethyl-8-(quinazolin-4-ylsulfanylmethyl)purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-(quinazolin-4-ylsulfanylmethyl)purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[(4-quinazolinylthio)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-(quinazolin-4-ylsulfanylmethyl)purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[(quinazolin-4-ylthio)methyl]xanthine Formula: C20H22N6O2S MolecularWeight: 410.49268

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2S/c1-3-5-10-26-17-16(18(27)24-20(26)28)25(4-2)15(23-17)11-29-19-13-8-6-7-9-14(13)21-12-22-19/h6-9,12H,3-5,10-11H2,1-2H3,(H,24,27,28)