methyl 2-[2-[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-[propyl(p-tolylmethyl)amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-[(4-methylbenzyl)-propyl-amino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C20H25N3O4S/c1-4-9-23(12-15-7-5-14(2)6-8-15)18(25)13-28-20-21-16(10-17(24)22-20)11-19(26)27-3/h5-8,10H,4,9,11-13H2,1-3H3,(H,21,22,24)