2-azanyl-N-[3-(methylamino)propyl]-N-[3-(5-methyl-2-propan-2-yl-phenoxy)propyl]pyrimidine-4-carboxamide

Systemtic Name: 2-azanyl-N-[3-(methylamino)propyl]-N-[3-(5-methyl-2-propan-2-yl-phenoxy)propyl]pyrimidine-4-carboxamide Openeye Name: 2-amino-N-[3-(2-isopropyl-5-methyl-phenoxy)propyl]-N-[3-(methylamino)propyl]pyrimidine-4-carboxamide CAS Name: 2-amino-N-[3-(methylamino)propyl]-N-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-4-pyrimidinecarboxamide IUPAC Name: 2-amino-N-[3-(methylamino)propyl]-N-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]pyrimidine-4-carboxamide Traditional Name: 2-amino-N-[3-(2-isopropyl-5-methyl-phenoxy)propyl]-N-[3-(methylamino)propyl]pyrimidine-4-carboxamide Formula: C22H33N5O2 MolecularWeight: 399.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCCN(CCCNC)C(=O)C2=NC(=NC=C2)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCCN(CCCNC)C(=O)C2=NC(=NC=C2)N

InChI

InChI=1S/C22H33N5O2/c1-16(2)18-8-7-17(3)15-20(18)29-14-6-13-27(12-5-10-24-4)21(28)19-9-11-25-22(23)26-19/h7-9,11,15-16,24H,5-6,10,12-14H2,1-4H3,(H2,23,25,26)