2-[[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-pyrimidin-2-yl]amino]methyl]phenol

Systemtic Name: 2-[[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-pyrimidin-2-yl]amino]methyl]phenol Openeye Name: 2-[[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-pyrimidin-2-yl]amino]methyl]phenol CAS Name: 2-[[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-2-pyrimidinyl]amino]methyl]phenol IUPAC Name: 2-[[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitropyrimidin-2-yl]amino]methyl]phenol Traditional Name: 2-[[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-pyrimidin-2-yl]amino]methyl]phenol Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3O

Isomeric SMILES

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3O

InChI

InChI=1S/C19H26N6O3/c20-9-13-5-7-14(8-6-13)10-21-18-16(25(27)28)12-23-19(24-18)22-11-15-3-1-2-4-17(15)26/h1-4,12-14,26H,5-11,20H2,(H2,21,22,23,24)