2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[(1-cyclopentyl-5-tetrazolyl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[(1-cyclopentyltetrazol-5-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NN=NN3C4CCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NN=NN3C4CCCC4)OC

InChI

InChI=1S/C17H20N6O3S/c1-25-13-7-11-12(8-14(13)26-2)18-15(19-16(11)24)9-27-17-20-21-22-23(17)10-5-3-4-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,18,19,24)