methyl 1-[2-[(4-oxidanylcyclohexyl)amino]pyrimidin-4-yl]indole-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-oxidanylcyclohexyl)amino]pyrimidin-4-yl]indole-4-carboxylate Openeye Name: methyl 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]indole-4-carboxylate CAS Name: 1-[2-[(4-hydroxycyclohexyl)amino]-4-pyrimidinyl]-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]indole-4-carboxylate Traditional Name: 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]indole-4-carboxylic acid methyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CN(C2=CC=C1)C3=NC(=NC=C3)NC4CCC(CC4)O

Isomeric SMILES

COC(=O)C1=C2C=CN(C2=CC=C1)C3=NC(=NC=C3)NC4CCC(CC4)O

InChI

InChI=1S/C20H22N4O3/c1-27-19(26)16-3-2-4-17-15(16)10-12-24(17)18-9-11-21-20(23-18)22-13-5-7-14(25)8-6-13/h2-4,9-14,25H,5-8H2,1H3,(H,21,22,23)