2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methylsulfanyl]-3-cyclopentyl-quinazolin-4-one

Systemtic Name: 2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methylsulfanyl]-3-cyclopentyl-quinazolin-4-one Openeye Name: 3-cyclopentyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-cyclopentyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-cyclopentyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-cyclopentyl-2-[(4,6-diamino-s-triazin-2-yl)methylthio]quinazolin-4-one Formula: C17H19N7OS MolecularWeight: 369.44406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NC(=N4)N)N

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NC(=N4)N)N

InChI

InChI=1S/C17H19N7OS/c18-15-21-13(22-16(19)23-15)9-26-17-20-12-8-4-3-7-11(12)14(25)24(17)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H4,18,19,21,22,23)