1,7-dicyclopropyl-5-(quinolin-8-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,7-dicyclopropyl-5-(quinolin-8-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,7-dicyclopropyl-5-(8-quinolylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,7-dicyclopropyl-5-(8-quinolinylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,7-dicyclopropyl-5-(quinolin-8-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,7-dicyclopropyl-5-(8-quinolylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C(=O)NC(=O)N3C4CC4)C(=N2)SCC5=CC=CC6=C5N=CC=C6

Isomeric SMILES

C1CC1C2=NC3=C(C(=O)NC(=O)N3C4CC4)C(=N2)SCC5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C22H19N5O2S/c28-20-16-19(27(15-8-9-15)22(29)26-20)24-18(13-6-7-13)25-21(16)30-11-14-4-1-3-12-5-2-10-23-17(12)14/h1-5,10,13,15H,6-9,11H2,(H,26,28,29)