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

Systemtic Name: 2-[(4-methylquinazolin-2-yl)amino]-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(4-methylquinazolin-2-yl)amino]-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-[(4-methyl-2-quinazolinyl)amino]-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(4-methylquinazolin-2-yl)amino]-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(4-methylquinazolin-2-yl)amino]-6-[[(1-phenyltetrazol-5-yl)thio]methyl]-1H-pyrimidin-4-one Formula: C21H17N9OS MolecularWeight: 443.48438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)NC3=NC(=O)C=C(N3)CSC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)NC3=NC(=O)C=C(N3)CSC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H17N9OS/c1-13-16-9-5-6-10-17(16)24-19(22-13)26-20-23-14(11-18(31)25-20)12-32-21-27-28-29-30(21)15-7-3-2-4-8-15/h2-11H,12H2,1H3,(H2,22,23,24,25,26,31)