6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N-(3-methoxypropyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCCCOC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCCCOC)[N+](=O)[O-])C

InChI

InChI=1S/C20H28N6O3/c1-15-6-4-7-17(16(15)2)24-9-11-25(12-10-24)20-18(26(27)28)19(22-14-23-20)21-8-5-13-29-3/h4,6-7,14H,5,8-13H2,1-3H3,(H,21,22,23)