2-[2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]ethylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]ethylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]ethylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[2-[4-[(4-nitrophenyl)methyl]-1-piperazinyl]ethylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]ethylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[2-[4-(4-nitrobenzyl)piperazino]ethylthio]pyrimidin-4-yl]amine Formula: C17H23N7O2S MolecularWeight: 389.47522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=NC(=CC(=N2)N)N)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCSC2=NC(=CC(=N2)N)N)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N7O2S/c18-15-11-16(19)21-17(20-15)27-10-9-22-5-7-23(8-6-22)12-13-1-3-14(4-2-13)24(25)26/h1-4,11H,5-10,12H2,(H4,18,19,20,21)