4-[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-pyrimidin-2-yl]amino]-N-phenyl-benzamide

Systemtic Name: 4-[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-pyrimidin-2-yl]amino]-N-phenyl-benzamide Openeye Name: 4-[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-pyrimidin-2-yl]amino]-N-phenyl-benzamide CAS Name: 4-[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-2-pyrimidinyl]amino]-N-phenylbenzamide IUPAC Name: 4-[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitropyrimidin-2-yl]amino]-N-phenylbenzamide Traditional Name: 4-[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-pyrimidin-2-yl]amino]-N-phenyl-benzamide Formula: C25H29N7O3 MolecularWeight: 475.54286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H29N7O3/c26-14-17-6-8-18(9-7-17)15-27-23-22(32(34)35)16-28-25(31-23)30-21-12-10-19(11-13-21)24(33)29-20-4-2-1-3-5-20/h1-5,10-13,16-18H,6-9,14-15,26H2,(H,29,33)(H2,27,28,30,31)