cyclopropyl-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: cyclopropyl-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: cyclopropyl-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: cyclopropyl-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: cyclopropyl-[4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]methanone Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O3/c1-14-19(13-16-3-7-18(8-4-16)26(28)29)20(23-15(2)22-14)24-9-11-25(12-10-24)21(27)17-5-6-17/h3-4,7-8,17H,5-6,9-13H2,1-2H3