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

Systemtic Name: N-(6-azanylhexyl)-4-[[4-[bis(prop-2-enyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(6-aminohexyl)-4-[[4-chloro-6-(diallylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(6-aminohexyl)-4-[[[4-[bis(prop-2-enyl)amino]-6-chloro-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(6-aminohexyl)-4-[[4-[bis(prop-2-enyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(6-aminohexyl)-4-[[[4-chloro-6-(diallylamino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C24H32ClN5OS MolecularWeight: 474.06178

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCCCCCN)Cl

Isomeric SMILES

C=CCN(CC=C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCCCCCN)Cl

InChI

InChI=1S/C24H32ClN5OS/c1-3-15-30(16-4-2)22-17-21(25)28-24(29-22)32-18-19-9-11-20(12-10-19)23(31)27-14-8-6-5-7-13-26/h3-4,9-12,17H,1-2,5-8,13-16,18,26H2,(H,27,31)