4-(cyclohexylmethylamino)-2-[3-(2-methylpiperidin-1-yl)propylamino]-N-phenethyl-pyrimidine-5-carboxamide

Systemtic Name: 4-(cyclohexylmethylamino)-2-[3-(2-methylpiperidin-1-yl)propylamino]-N-phenethyl-pyrimidine-5-carboxamide Openeye Name: 4-(cyclohexylmethylamino)-2-[3-(2-methyl-1-piperidyl)propylamino]-N-phenethyl-pyrimidine-5-carboxamide CAS Name: 4-(cyclohexylmethylamino)-2-[3-(2-methyl-1-piperidinyl)propylamino]-N-phenethyl-5-pyrimidinecarboxamide IUPAC Name: 4-(cyclohexylmethylamino)-2-[3-(2-methylpiperidin-1-yl)propylamino]-N-phenethylpyrimidine-5-carboxamide Traditional Name: 4-(cyclohexylmethylamino)-2-[3-(2-methylpiperidino)propylamino]-N-phenethyl-pyrimidine-5-carboxamide Formula: C29H44N6O MolecularWeight: 492.69926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC2=NC=C(C(=N2)NCC3CCCCC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1CCCNC2=NC=C(C(=N2)NCC3CCCCC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C29H44N6O/c1-23-11-8-9-19-35(23)20-10-17-31-29-33-22-26(27(34-29)32-21-25-14-6-3-7-15-25)28(36)30-18-16-24-12-4-2-5-13-24/h2,4-5,12-13,22-23,25H,3,6-11,14-21H2,1H3,(H,30,36)(H2,31,32,33,34)