N-(2-azanylethyl)-2-[3-[4-[(5-methyl-2-propan-2-yl-phenoxy)methyl]piperidin-1-yl]propylamino]pyrimidine-4-carboxamide

Systemtic Name: N-(2-azanylethyl)-2-[3-[4-[(5-methyl-2-propan-2-yl-phenoxy)methyl]piperidin-1-yl]propylamino]pyrimidine-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-[3-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]-1-piperidyl]propylamino]pyrimidine-4-carboxamide CAS Name: N-(2-aminoethyl)-2-[3-[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-piperidinyl]propylamino]-4-pyrimidinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-[3-[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]piperidin-1-yl]propylamino]pyrimidine-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-[3-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]piperidino]propylamino]pyrimidine-4-carboxamide Formula: C26H40N6O2 MolecularWeight: 468.6348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2CCN(CC2)CCCNC3=NC=CC(=N3)C(=O)NCCN

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2CCN(CC2)CCCNC3=NC=CC(=N3)C(=O)NCCN

InChI

InChI=1S/C26H40N6O2/c1-19(2)22-6-5-20(3)17-24(22)34-18-21-8-15-32(16-9-21)14-4-11-29-26-30-12-7-23(31-26)25(33)28-13-10-27/h5-7,12,17,19,21H,4,8-11,13-16,18,27H2,1-3H3,(H,28,33)(H,29,30,31)