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

Systemtic Name: 6-azanyl-5-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC3=CC=CC=C3N2CC)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC3=CC=CC=C3N2CC)N

InChI

InChI=1S/C18H21N5O3S/c1-3-9-23-15(19)14(16(25)21-17(23)26)13(24)10-27-18-20-11-7-5-6-8-12(11)22(18)4-2/h5-8H,3-4,9-10,19H2,1-2H3,(H,21,25,26)