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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-propyl-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-propyl-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-propyl-2-(2-quinolinylthio)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-propyl-2-(2-quinolylthio)acetamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H25N5O3S/c1-2-14-29(21(31)16-34-20-13-12-18-10-6-7-11-19(18)27-20)22-23(26)30(25(33)28-24(22)32)15-17-8-4-3-5-9-17/h3-13H,2,14-16,26H2,1H3,(H,28,32,33)