4-(4-methoxyphenyl)-2-[4-(methylamino)butyl]-6-morpholin-4-yl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methoxyphenyl)-2-[4-(methylamino)butyl]-6-morpholin-4-yl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-methoxyphenyl)-2-[4-(methylamino)butyl]-6-morpholino-pyrimidine-5-carbonitrile CAS Name: 4-(4-methoxyphenyl)-2-[4-(methylamino)butyl]-6-(4-morpholinyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methoxyphenyl)-2-[4-(methylamino)butyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile Traditional Name: 4-(4-methoxyphenyl)-2-[4-(methylamino)butyl]-6-morpholino-pyrimidine-5-carbonitrile Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCC1=NC(=C(C(=N1)N2CCOCC2)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CNCCCCC1=NC(=C(C(=N1)N2CCOCC2)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N5O2/c1-23-10-4-3-5-19-24-20(16-6-8-17(27-2)9-7-16)18(15-22)21(25-19)26-11-13-28-14-12-26/h6-9,23H,3-5,10-14H2,1-2H3