4-[[4-[bis(prop-2-enyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylmethyl]-N-butan-2-yl-benzamide

Systemtic Name: 4-[[4-[bis(prop-2-enyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylmethyl]-N-butan-2-yl-benzamide Openeye Name: 4-[[4-chloro-6-(diallylamino)pyrimidin-2-yl]sulfanylmethyl]-N-sec-butyl-benzamide CAS Name: 4-[[[4-[bis(prop-2-enyl)amino]-6-chloro-2-pyrimidinyl]thio]methyl]-N-butan-2-ylbenzamide IUPAC Name: 4-[[4-[bis(prop-2-enyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-butan-2-ylbenzamide Traditional Name: 4-[[[4-chloro-6-(diallylamino)pyrimidin-2-yl]thio]methyl]-N-sec-butyl-benzamide Formula: C22H27ClN4OS MolecularWeight: 430.99398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N(CC=C)CC=C

Isomeric SMILES

CCC(C)NC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N(CC=C)CC=C

InChI

InChI=1S/C22H27ClN4OS/c1-5-12-27(13-6-2)20-14-19(23)25-22(26-20)29-15-17-8-10-18(11-9-17)21(28)24-16(4)7-3/h5-6,8-11,14,16H,1-2,7,12-13,15H2,3-4H3,(H,24,28)