3-[(4-chloranyl-6-methyl-pyrimidin-2-yl)amino]-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: 3-[(4-chloranyl-6-methyl-pyrimidin-2-yl)amino]-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: 3-[(4-chloro-6-methyl-pyrimidin-2-yl)amino]-2-(3-methoxybenzoyl)prop-2-enenitrile CAS Name: 3-[(4-chloro-6-methyl-2-pyrimidinyl)amino]-2-[(3-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-(3-methoxybenzoyl)prop-2-enenitrile Traditional Name: 3-[(4-chloro-6-methyl-pyrimidin-2-yl)amino]-2-m-anisoyl-acrylonitrile Formula: C16H13ClN4O2 MolecularWeight: 328.75302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC=C(C#N)C(=O)C2=CC(=CC=C2)OC)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)NC=C(C#N)C(=O)C2=CC(=CC=C2)OC)Cl

InChI

InChI=1S/C16H13ClN4O2/c1-10-6-14(17)21-16(20-10)19-9-12(8-18)15(22)11-4-3-5-13(7-11)23-2/h3-7,9H,1-2H3,(H,19,20,21)