5-(1-pyridin-4-ylindol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine

Systemtic Name: 5-(1-pyridin-4-ylindol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine Openeye Name: 5-[1-(4-pyridyl)indol-5-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine CAS Name: 5-(1-pyridin-4-yl-5-indolyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine IUPAC Name: 5-(1-pyridin-4-ylindol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[1-(4-pyridyl)indol-5-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]amine Formula: C22H22N6 MolecularWeight: 370.45028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(C1)C3=CC4=C(C=C3)N(C=C4)C5=CC=NC=C5)C(=NC(=N2)N)N

Isomeric SMILES

C1CCC2=C(C(C1)C3=CC4=C(C=C3)N(C=C4)C5=CC=NC=C5)C(=NC(=N2)N)N

InChI

InChI=1S/C22H22N6/c23-21-20-17(3-1-2-4-18(20)26-22(24)27-21)14-5-6-19-15(13-14)9-12-28(19)16-7-10-25-11-8-16/h5-13,17H,1-4H2,(H4,23,24,26,27)