1-[6-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-2-yl]-3-methyl-urea

Systemtic Name: 1-[6-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-2-yl]-3-methyl-urea Openeye Name: 1-[6-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-2-yl]-3-methyl-urea CAS Name: 1-[6-(4-amino-7-propan-2-yl-5-pyrrolo[2,3-d]pyrimidinyl)-1,3-benzothiazol-2-yl]-3-methylurea IUPAC Name: 1-[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-2-yl]-3-methylurea Traditional Name: 1-[6-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-2-yl]-3-methyl-urea Formula: C18H19N7OS MolecularWeight: 381.45476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=C1N=CN=C2N)C3=CC4=C(C=C3)N=C(S4)NC(=O)NC

Isomeric SMILES

CC(C)N1C=C(C2=C1N=CN=C2N)C3=CC4=C(C=C3)N=C(S4)NC(=O)NC

InChI

InChI=1S/C18H19N7OS/c1-9(2)25-7-11(14-15(19)21-8-22-16(14)25)10-4-5-12-13(6-10)27-18(23-12)24-17(26)20-3/h4-9H,1-3H3,(H2,19,21,22)(H2,20,23,24,26)