2-(1,3-benzodioxol-5-ylamino)-5-chloranyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylamino)-5-chloranyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylamino)-5-chloro-N-(3-phenylpropyl)pyrimidine-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylamino)-5-chloro-N-(3-phenylpropyl)-4-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylamino)-5-chloro-N-(3-phenylpropyl)pyrimidine-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-ylamino)-5-chloro-N-(3-phenylpropyl)pyrimidine-4-carboxamide Formula: C21H19ClN4O3 MolecularWeight: 410.85356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC=C(C(=N3)C(=O)NCCCC4=CC=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC=C(C(=N3)C(=O)NCCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H19ClN4O3/c22-16-12-24-21(25-15-8-9-17-18(11-15)29-13-28-17)26-19(16)20(27)23-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,23,27)(H,24,25,26)