2-[(6-ethoxy-4-methyl-quinazolin-2-yl)amino]-6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(6-ethoxy-4-methyl-quinazolin-2-yl)amino]-6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(6-ethoxy-4-methyl-quinazolin-2-yl)amino]-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-[(6-ethoxy-4-methyl-2-quinazolinyl)amino]-6-[[(1-methyl-5-tetrazolyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(6-ethoxy-4-methyl-quinazolin-2-yl)amino]-6-[[(1-methyltetrazol-5-yl)thio]methyl]-1H-pyrimidin-4-one Formula: C18H19N9O2S MolecularWeight: 425.46756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NN=NN4C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NN=NN4C

InChI

InChI=1S/C18H19N9O2S/c1-4-29-12-5-6-14-13(8-12)10(2)19-16(21-14)23-17-20-11(7-15(28)22-17)9-30-18-24-25-26-27(18)3/h5-8H,4,9H2,1-3H3,(H2,19,20,21,22,23,28)