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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)SCC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC1=NC2=C(C(=N1)SCC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

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