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

Systemtic Name: 2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-[(6-methoxy-4-methyl-2-quinazolinyl)amino]-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-6-[[(1-phenyltetrazol-5-yl)thio]methyl]-1H-pyrimidin-4-one Formula: C22H19N9O2S MolecularWeight: 473.51036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=NC(=O)C=C(N3)CSC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=NC(=O)C=C(N3)CSC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C22H19N9O2S/c1-13-17-11-16(33-2)8-9-18(17)25-20(23-13)27-21-24-14(10-19(32)26-21)12-34-22-28-29-30-31(22)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,23,24,25,26,27,32)