N-(3-chlorophenyl)-4-[2-(prop-2-enylamino)pyridin-4-yl]pyrimidin-2-amine

Systemtic Name: N-(3-chlorophenyl)-4-[2-(prop-2-enylamino)pyridin-4-yl]pyrimidin-2-amine Openeye Name: 4-[2-(allylamino)-4-pyridyl]-N-(3-chlorophenyl)pyrimidin-2-amine CAS Name: N-(3-chlorophenyl)-4-[2-(prop-2-enylamino)-4-pyridinyl]-2-pyrimidinamine IUPAC Name: N-(3-chlorophenyl)-4-[2-(prop-2-enylamino)pyridin-4-yl]pyrimidin-2-amine Traditional Name: allyl-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]amine Formula: C18H16ClN5 MolecularWeight: 337.80614

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=CC(=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C=CCNC1=NC=CC(=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H16ClN5/c1-2-8-20-17-11-13(6-9-21-17)16-7-10-22-18(24-16)23-15-5-3-4-14(19)12-15/h2-7,9-12H,1,8H2,(H,20,21)(H,22,23,24)