4-[[2-(1H-indazol-6-ylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]cyclohexan-1-ol

Systemtic Name: 4-[[2-(1H-indazol-6-ylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]cyclohexan-1-ol Openeye Name: 4-[[2-(1H-indazol-6-ylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]cyclohexanol CAS Name: 4-[[2-(1H-indazol-6-ylamino)-5-nitro-4-pyrimidinyl]-methylamino]-1-cyclohexanol IUPAC Name: 4-[[2-(1H-indazol-6-ylamino)-5-nitropyrimidin-4-yl]-methylamino]cyclohexan-1-ol Traditional Name: 4-[[2-(1H-indazol-6-ylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]cyclohexanol Formula: C18H21N7O3 MolecularWeight: 383.40444

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)O)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC4=C(C=C3)C=NN4

Isomeric SMILES

CN(C1CCC(CC1)O)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC4=C(C=C3)C=NN4

InChI

InChI=1S/C18H21N7O3/c1-24(13-4-6-14(26)7-5-13)17-16(25(27)28)10-19-18(22-17)21-12-3-2-11-9-20-23-15(11)8-12/h2-3,8-10,13-14,26H,4-7H2,1H3,(H,20,23)(H,19,21,22)