N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(1-methylimidazol-2-yl)sulfanyl-N-propyl-ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(1-methylimidazol-2-yl)sulfanyl-N-propyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(1-methylimidazol-2-yl)sulfanyl-N-propyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-[(1-methyl-2-imidazolyl)thio]-N-propylacetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylimidazol-2-yl)sulfanyl-N-propylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-2-[(1-methylimidazol-2-yl)thio]-N-propyl-acetamide Formula: C20H24N6O3S MolecularWeight: 428.50796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC=CN3C

Isomeric SMILES

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC=CN3C

InChI

InChI=1S/C20H24N6O3S/c1-3-10-25(15(27)13-30-20-22-9-11-24(20)2)16-17(21)26(19(29)23-18(16)28)12-14-7-5-4-6-8-14/h4-9,11H,3,10,12-13,21H2,1-2H3,(H,23,28,29)