1,3-dimethyl-5-phenacylsulfanyl-7-propan-2-yl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-5-phenacylsulfanyl-7-propan-2-yl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-isopropyl-1,3-dimethyl-5-phenacylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-(phenacylthio)-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-phenacylsulfanyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-isopropyl-1,3-dimethyl-5-(phenacylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C(=N1)SCC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)C1=NC2=C(C(=N1)SCC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H20N4O3S/c1-11(2)15-20-16-14(18(25)23(4)19(26)22(16)3)17(21-15)27-10-13(24)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3