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

Systemtic Name: 2-(4-azanylbutylamino)-3-(phenylmethyl)-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-(4-aminobutylamino)-3-benzyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-(4-aminobutylamino)-3-(phenylmethyl)-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-(4-aminobutylamino)-3-benzyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-(4-aminobutylamino)-3-benzyl-6-(4-pyridyl)pyrimidin-4-one Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C=C(N=C2NCCCCN)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C=C(N=C2NCCCCN)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5O/c21-10-4-5-11-23-20-24-18(17-8-12-22-13-9-17)14-19(26)25(20)15-16-6-2-1-3-7-16/h1-3,6-9,12-14H,4-5,10-11,15,21H2,(H,23,24)