2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(1,3-dimethyl-2,4-dioxo-7-propyl-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(1,3-dimethyl-2,4-dioxo-7-propyl-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-phenylacetamide IUPAC Name: 2-(1,3-dimethyl-2,4-dioxo-7-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(2,4-diketo-1,3-dimethyl-7-propyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]-N-phenyl-acetamide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)SCC(=O)NC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC1=NC2=C(C(=N1)SCC(=O)NC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H21N5O3S/c1-4-8-13-21-16-15(18(26)24(3)19(27)23(16)2)17(22-13)28-11-14(25)20-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3,(H,20,25)