6-azanyl-5-[2-(1-hexylbenzimidazol-2-yl)sulfanylethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(1-hexylbenzimidazol-2-yl)sulfanylethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]-3-methyl-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(1-hexyl-2-benzimidazolyl)thio]-1-oxoethyl]-3-methyl-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(1-hexylbenzimidazol-2-yl)thio]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-quinone Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=O)N(C3=O)C)CCC)N

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=O)N(C3=O)C)CCC)N

InChI

InChI=1S/C23H31N5O3S/c1-4-6-7-10-14-27-17-12-9-8-11-16(17)25-22(27)32-15-18(29)19-20(24)28(13-5-2)23(31)26(3)21(19)30/h8-9,11-12H,4-7,10,13-15,24H2,1-3H3