2-(4-azanylbutylamino)-3-phenethyl-6-pyridin-4-yl-pyrimidin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C=C(N=C2NCCCCN)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C=C(N=C2NCCCCN)C3=CC=NC=C3

InChI

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