[3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-(1-bromoethyl)benzoate

Systemtic Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-(1-bromoethyl)benzoate Openeye Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 4-(1-bromoethyl)benzoate CAS Name: 4-(1-bromoethyl)benzoic acid [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 4-(1-bromoethyl)benzoate Traditional Name: 4-(1-bromoethyl)benzoic acid [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C21H25BrN4O3S MolecularWeight: 493.4172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCC4)C)Br

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCC4)C)Br

InChI

InChI=1S/C21H25BrN4O3S/c1-13(22)14-7-9-16(10-8-14)19(27)29-17-11-12-25(2)21(28)26(17)20-24-23-18(30-20)15-5-3-4-6-15/h7-10,13,15,17H,3-6,11-12H2,1-2H3