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

Systemtic Name: tert-butyl 2-[3-methyl-2,4-bis(oxidanylidene)-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanoate Openeye Name: tert-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 tert-butyl ester IUPAC Name: tert-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 tert-butyl ester Formula: C19H28N4O4S MolecularWeight: 408.51502

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC(=O)OC(C)(C)C)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC(=O)OC(C)(C)C)C(=O)N(C1=O)C

InChI

InChI=1S/C19H28N4O4S/c1-8-9-23-15-13(17(25)22(7)18(23)26)16(21-14(20-15)11(2)3)28-10-12(24)27-19(4,5)6/h11H,8-10H2,1-7H3