N4-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine

Systemtic Name: N4-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine Openeye Name: N4-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine CAS Name: N4-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amine Formula: C18H22N6 MolecularWeight: 322.40748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)N=CC=C2)C3=NC(=NC=C3)NC4CCC(CC4)N

Isomeric SMILES

CC1=C(C2=C(N1)N=CC=C2)C3=NC(=NC=C3)NC4CCC(CC4)N

InChI

InChI=1S/C18H22N6/c1-11-16(14-3-2-9-20-17(14)22-11)15-8-10-21-18(24-15)23-13-6-4-12(19)5-7-13/h2-3,8-10,12-13H,4-7,19H2,1H3,(H,20,22)(H,21,23,24)