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

Systemtic Name: 1,3,7-trimethyl-5-(naphthalen-1-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3,7-trimethyl-5-(1-naphthylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3,7-trimethyl-5-(1-naphthalenylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3,7-trimethyl-5-(naphthalen-1-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3,7-trimethyl-5-(1-naphthylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SCC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC1=NC2=C(C(=N1)SCC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H18N4O2S/c1-12-21-17-16(19(25)24(3)20(26)23(17)2)18(22-12)27-11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,11H2,1-3H3