N-[3-(2-azanyl-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propyl]-N-phenyl-benzamide

Systemtic Name: N-[3-(2-azanyl-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propyl]-N-phenyl-benzamide Openeye Name: N-[3-(2-amino-6-methyl-4-thioxo-1H-pyrimidin-5-yl)propyl]-N-phenyl-benzamide CAS Name: N-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propyl]-N-phenylbenzamide IUPAC Name: N-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propyl]-N-phenylbenzamide Traditional Name: N-[3-(2-amino-6-methyl-4-thioxo-1H-pyrimidin-5-yl)propyl]-N-phenyl-benzamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N=C(N1)N)CCCN(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=S)N=C(N1)N)CCCN(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS/c1-15-18(19(27)24-21(22)23-15)13-8-14-25(17-11-6-3-7-12-17)20(26)16-9-4-2-5-10-16/h2-7,9-12H,8,13-14H2,1H3,(H3,22,23,24,27)