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

Systemtic Name: 3-methyl-5-phenacylsulfanyl-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-isopropyl-3-methyl-5-phenacylsulfanyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 3-methyl-5-(phenacylthio)-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 3-methyl-5-phenacylsulfanyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-isopropyl-3-methyl-5-(phenacylthio)-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC(=O)C3=CC=CC=C3)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC(=O)C3=CC=CC=C3)C(=O)N(C1=O)C

InChI

InChI=1S/C21H24N4O3S/c1-5-11-25-18-16(20(27)24(4)21(25)28)19(23-17(22-18)13(2)3)29-12-15(26)14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3