4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-5-nitro-6-piperidino-pyrimidine Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C20H26N6O3/c1-29-17-7-5-16(6-8-17)23-11-13-25(14-12-23)20-18(26(27)28)19(21-15-22-20)24-9-3-2-4-10-24/h5-8,15H,2-4,9-14H2,1H3