1,3-dimethyl-5-(naphthalen-1-ylmethylsulfanyl)-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-5-(naphthalen-1-ylmethylsulfanyl)-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-(1-naphthylmethylsulfanyl)-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-(1-naphthalenylmethylthio)-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-(naphthalen-1-ylmethylsulfanyl)-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-5-(1-naphthylmethylthio)-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)SCC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC1=NC2=C(C(=N1)SCC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C22H22N4O2S/c1-4-8-17-23-19-18(21(27)26(3)22(28)25(19)2)20(24-17)29-13-15-11-7-10-14-9-5-6-12-16(14)15/h5-7,9-12H,4,8,13H2,1-3H3