1-[7-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-yl]-3-nonyl-urea hydrochloride

Systemtic Name: 1-[7-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-yl]-3-nonyl-urea hydrochloride Openeye Name: 1-[2-(allylamino)-7-methyl-thieno[3,2-d]pyrimidin-4-yl]-3-nonyl-urea hydrochloride CAS Name: 1-[7-methyl-2-(prop-2-enylamino)-4-thieno[3,2-d]pyrimidinyl]-3-nonylurea hydrochloride IUPAC Name: 1-[7-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-yl]-3-nonylurea hydrochloride Traditional Name: 1-[2-(allylamino)-7-methyl-thieno[3,2-d]pyrimidin-4-yl]-3-nonyl-urea hydrochloride Formula: C20H32ClN5OS MolecularWeight: 426.01898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNC(=O)NC1=NC(=NC2=C1SC=C2C)NCC=C.Cl

Isomeric SMILES

CCCCCCCCCNC(=O)NC1=NC(=NC2=C1SC=C2C)NCC=C.Cl

InChI

InChI=1S/C20H31N5OS.ClH/c1-4-6-7-8-9-10-11-13-22-20(26)25-18-17-16(15(3)14-27-17)23-19(24-18)21-12-5-2;/h5,14H,2,4,6-13H2,1,3H3,(H3,21,22,23,24,25,26);1H