butyl 2-[3-methyl-2,4-bis(oxidanylidene)-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanoate

Systemtic Name: butyl 2-[3-methyl-2,4-bis(oxidanylidene)-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanoate Openeye Name: butyl 2-(7-isopropyl-3-methyl-2,4-dioxo-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate CAS Name: 2-[(3-methyl-2,4-dioxo-7-propan-2-yl-1-propyl-5-pyrimido[4,5-d]pyrimidinyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(3-methyl-2,4-dioxo-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate Traditional Name: 2-[(7-isopropyl-2,4-diketo-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]acetic acid butyl ester Formula: C19H28N4O4S MolecularWeight: 408.51502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC(=NC2=C1C(=O)N(C(=O)N2CCC)C)C(C)C

Isomeric SMILES

CCCCOC(=O)CSC1=NC(=NC2=C1C(=O)N(C(=O)N2CCC)C)C(C)C

InChI

InChI=1S/C19H28N4O4S/c1-6-8-10-27-13(24)11-28-17-14-16(20-15(21-17)12(3)4)23(9-7-2)19(26)22(5)18(14)25/h12H,6-11H2,1-5H3