N-butan-2-yl-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-butan-2-yl-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-sec-butyl-pyrimidin-4-amine CAS Name: N-butan-2-yl-6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-butan-2-yl-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-sec-butyl-amine Formula: C18H23ClN6O2 MolecularWeight: 390.86722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H23ClN6O2/c1-3-13(2)22-17-16(25(26)27)18(21-12-20-17)24-9-7-23(8-10-24)15-6-4-5-14(19)11-15/h4-6,11-13H,3,7-10H2,1-2H3,(H,20,21,22)