6-azanyl-5-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]pyrimidine-2,4-quinone Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N

InChI

InChI=1S/C21H19N5O3S/c1-12-7-8-14-15(9-12)24-20(23-14)30-11-16(27)17-18(22)26(21(29)25-19(17)28)10-13-5-3-2-4-6-13/h2-9H,10-11,22H2,1H3,(H,23,24)(H,25,28,29)