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

Systemtic Name: 4-(4-ethylpiperazin-1-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-ethylpiperazin-1-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-(4-ethyl-1-piperazinyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-ethylpiperazin-1-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-ethylpiperazino)-6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidine Formula: C21H29N7O3 MolecularWeight: 427.50006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H29N7O3/c1-3-24-8-10-26(11-9-24)20-19(28(29)30)21(23-16-22-20)27-14-12-25(13-15-27)17-4-6-18(31-2)7-5-17/h4-7,16H,3,8-15H2,1-2H3