3-[4-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]propan-1-ol

Systemtic Name: 3-[4-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]propan-1-ol Openeye Name: 3-[4-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]propan-1-ol CAS Name: 3-[4-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]-1-propanol IUPAC Name: 3-[4-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]piperazin-1-yl]propan-1-ol Traditional Name: 3-[4-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]piperazino]propan-1-ol Formula: C17H21ClN6O3 MolecularWeight: 392.84004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCO)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1CCCO)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN6O3/c18-13-2-4-14(5-3-13)20-17-19-12-15(24(26)27)16(21-17)23-9-7-22(8-10-23)6-1-11-25/h2-5,12,25H,1,6-11H2,(H,19,20,21)