7-cyclopropyl-5-[(3-fluorophenyl)methylsulfanyl]-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-cyclopropyl-5-[(3-fluorophenyl)methylsulfanyl]-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-cyclopropyl-5-[(3-fluorophenyl)methylsulfanyl]-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclopropyl-5-[(3-fluorophenyl)methylthio]-3-methyl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-cyclopropyl-5-[(3-fluorophenyl)methylsulfanyl]-3-methyl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-cyclopropyl-5-[(3-fluorobenzyl)thio]-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H21FN4O2S MolecularWeight: 400.469743

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C3CC3)SCC4=CC(=CC=C4)F)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C3CC3)SCC4=CC(=CC=C4)F)C(=O)N(C1=O)C

InChI

InChI=1S/C20H21FN4O2S/c1-3-9-25-17-15(19(26)24(2)20(25)27)18(23-16(22-17)13-7-8-13)28-11-12-5-4-6-14(21)10-12/h4-6,10,13H,3,7-9,11H2,1-2H3