1-[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonylphenyl]-3-thiophen-2-yl-urea

Systemtic Name: 1-[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonylphenyl]-3-thiophen-2-yl-urea Openeye Name: 1-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(2-thienyl)urea CAS Name: 1-[3-[(4-amino-7-propan-2-yl-5-pyrrolo[2,3-d]pyrimidinyl)-oxomethyl]phenyl]-3-thiophen-2-ylurea IUPAC Name: 1-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-thiophen-2-ylurea Traditional Name: 1-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(2-thienyl)urea Formula: C21H20N6O2S MolecularWeight: 420.4875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=C1N=CN=C2N)C(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=CS4

Isomeric SMILES

CC(C)N1C=C(C2=C1N=CN=C2N)C(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=CS4

InChI

InChI=1S/C21H20N6O2S/c1-12(2)27-10-15(17-19(22)23-11-24-20(17)27)18(28)13-5-3-6-14(9-13)25-21(29)26-16-7-4-8-30-16/h3-12H,1-2H3,(H2,22,23,24)(H2,25,26,29)