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

Systemtic Name: 7-ethyl-1,3-dimethyl-5-phenacylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-ethyl-1,3-dimethyl-5-phenacylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-ethyl-1,3-dimethyl-5-(phenacylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-ethyl-1,3-dimethyl-5-phenacylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-ethyl-1,3-dimethyl-5-(phenacylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)SCC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC1=NC2=C(C(=N1)SCC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H18N4O3S/c1-4-13-19-15-14(17(24)22(3)18(25)21(15)2)16(20-13)26-10-12(23)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3