1-[3-[4-[[2-(phenylmethyl)-3H-benzimidazol-5-yl]amino]thieno[3,2-d]pyrimidin-6-yl]prop-2-ynyl]urea

Systemtic Name: 1-[3-[4-[[2-(phenylmethyl)-3H-benzimidazol-5-yl]amino]thieno[3,2-d]pyrimidin-6-yl]prop-2-ynyl]urea Openeye Name: 3-[4-[(2-benzyl-3H-benzimidazol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl]prop-2-ynylurea CAS Name: 3-[4-[[2-(phenylmethyl)-3H-benzimidazol-5-yl]amino]-6-thieno[3,2-d]pyrimidinyl]prop-2-ynylurea IUPAC Name: 3-[4-[(2-benzyl-3H-benzimidazol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl]prop-2-ynylurea Traditional Name: 3-[4-[(2-benzyl-3H-benzimidazol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl]prop-2-ynylurea Formula: C24H19N7OS MolecularWeight: 453.51896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)NC4=NC=NC5=C4SC(=C5)C#CCNC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)NC4=NC=NC5=C4SC(=C5)C#CCNC(=O)N

InChI

InChI=1S/C24H19N7OS/c25-24(32)26-10-4-7-17-13-20-22(33-17)23(28-14-27-20)29-16-8-9-18-19(12-16)31-21(30-18)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12-14H,10-11H2,(H,30,31)(H3,25,26,32)(H,27,28,29)