2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C17H19N7OS MolecularWeight: 369.44406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C17H19N7OS/c1-2-6-12-9-14(25)23-17(20-12)26-10-13-21-15(18)24-16(22-13)19-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,20,23,25)(H3,18,19,21,22,24)