2-azanyl-6-methyl-5-nitro-4-[2-(4-piperazin-1-yl-5-pyrimidin-2-yl-pentoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2-azanyl-6-methyl-5-nitro-4-[2-(4-piperazin-1-yl-5-pyrimidin-2-yl-pentoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-amino-6-methyl-5-nitro-4-[2-(4-piperazin-1-yl-5-pyrimidin-2-yl-pentoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-amino-6-methyl-5-nitro-4-[2-[4-(1-piperazinyl)-5-(2-pyrimidinyl)pentoxy]phenyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-amino-6-methyl-5-nitro-4-[2-(4-piperazin-1-yl-5-pyrimidin-2-ylpentoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-amino-6-methyl-5-nitro-4-[2-[4-piperazino-5-(2-pyrimidyl)pentoxy]phenyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C26H33N7O5 MolecularWeight: 523.58412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N)C(=O)O)C2=CC=CC=C2OCCCC(CC3=NC=CC=N3)N4CCNCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)N)C(=O)O)C2=CC=CC=C2OCCCC(CC3=NC=CC=N3)N4CCNCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H33N7O5/c1-17-24(33(36)37)22(23(26(34)35)25(27)31-17)19-7-2-3-8-20(19)38-15-4-6-18(32-13-11-28-12-14-32)16-21-29-9-5-10-30-21/h2-3,5,7-10,18,22,28,31H,4,6,11-16,27H2,1H3,(H,34,35)