2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3N)C4CCCCC4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3N)C4CCCCC4

InChI

InChI=1S/C18H22N6OS/c1-11-6-5-9-13-15(11)20-14(21-17(13)25)10-26-18-23-22-16(24(18)19)12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10,19H2,1H3,(H,20,21,25)