2-[[4,6-bis(azanyl)-2-(2-piperazin-1-ylethylsulfanyl)pyrimidin-5-yl]methyl]phenol

Systemtic Name: 2-[[4,6-bis(azanyl)-2-(2-piperazin-1-ylethylsulfanyl)pyrimidin-5-yl]methyl]phenol Openeye Name: 2-[[4,6-diamino-2-(2-piperazin-1-ylethylsulfanyl)pyrimidin-5-yl]methyl]phenol CAS Name: 2-[[4,6-diamino-2-[2-(1-piperazinyl)ethylthio]-5-pyrimidinyl]methyl]phenol IUPAC Name: 2-[[4,6-diamino-2-(2-piperazin-1-ylethylsulfanyl)pyrimidin-5-yl]methyl]phenol Traditional Name: 2-[[4,6-diamino-2-(2-piperazinoethylthio)pyrimidin-5-yl]methyl]phenol Formula: C17H24N6OS MolecularWeight: 360.47706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCSC2=NC(=C(C(=N2)N)CC3=CC=CC=C3O)N

Isomeric SMILES

C1CN(CCN1)CCSC2=NC(=C(C(=N2)N)CC3=CC=CC=C3O)N

InChI

InChI=1S/C17H24N6OS/c18-15-13(11-12-3-1-2-4-14(12)24)16(19)22-17(21-15)25-10-9-23-7-5-20-6-8-23/h1-4,20,24H,5-11H2,(H4,18,19,21,22)