4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-(2-methyl-1-piperidyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 4-(2-methyl-1-piperidinyl)-5-nitro-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 4-(2-methylpiperidino)-5-nitro-6-(4-phenylpiperazino)pyrimidine Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H26N6O2/c1-16-7-5-6-10-25(16)20-18(26(27)28)19(21-15-22-20)24-13-11-23(12-14-24)17-8-3-2-4-9-17/h2-4,8-9,15-16H,5-7,10-14H2,1H3