2-(3-azanylpropyl)-3-(3-phenylpropylamino)-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 2-(3-azanylpropyl)-3-(3-phenylpropylamino)-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-(3-aminopropyl)-3-(3-phenylpropylamino)-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-(3-aminopropyl)-3-(3-phenylpropylamino)-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-(3-aminopropyl)-3-(3-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-(3-aminopropyl)-3-(3-phenylpropylamino)-6-(4-pyridyl)pyrimidin-4-one Formula: C21H25N5O MolecularWeight: 363.4561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNN2C(=O)C=C(N=C2CCCN)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCNN2C(=O)C=C(N=C2CCCN)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5O/c22-12-4-9-20-25-19(18-10-14-23-15-11-18)16-21(27)26(20)24-13-5-8-17-6-2-1-3-7-17/h1-3,6-7,10-11,14-16,24H,4-5,8-9,12-13,22H2