[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl] 1H-indole-6-carboxylate

Systemtic Name: [[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl] 1H-indole-6-carboxylate Openeye Name: [[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl] 1H-indole-6-carboxylate CAS Name: 1H-indole-6-carboxylic acid [[[4-(4-azepanyl)-2-pyrimidinyl]amino]-(1-azetidinyl)methyl] ester IUPAC Name: [[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl] 1H-indole-6-carboxylate Traditional Name: 1H-indole-6-carboxylic acid [[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl] ester Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)C2=NC(=NC=C2)NC(N3CCC3)OC(=O)C4=CC5=C(C=C4)C=CN5

Isomeric SMILES

C1CC(CCNC1)C2=NC(=NC=C2)NC(N3CCC3)OC(=O)C4=CC5=C(C=C4)C=CN5

InChI

InChI=1S/C23H28N6O2/c30-21(18-5-4-17-7-11-25-20(17)15-18)31-23(29-13-2-14-29)28-22-26-12-8-19(27-22)16-3-1-9-24-10-6-16/h4-5,7-8,11-12,15-16,23-25H,1-3,6,9-10,13-14H2,(H,26,27,28)