1-[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonyl-4-methoxy-phenyl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonyl-4-methoxy-phenyl]-3-(3-methylphenyl)urea Openeye Name: 1-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-4-methoxy-phenyl]-3-(m-tolyl)urea CAS Name: 1-[3-[(4-amino-7-propan-2-yl-5-pyrrolo[2,3-d]pyrimidinyl)-oxomethyl]-4-methoxyphenyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-4-methoxyphenyl]-3-(3-methylphenyl)urea Traditional Name: 1-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-4-methoxy-phenyl]-3-(m-tolyl)urea Formula: C25H26N6O3 MolecularWeight: 458.51234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)OC)C(=O)C3=CN(C4=C3C(=NC=N4)N)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)OC)C(=O)C3=CN(C4=C3C(=NC=N4)N)C(C)C

InChI

InChI=1S/C25H26N6O3/c1-14(2)31-12-19(21-23(26)27-13-28-24(21)31)22(32)18-11-17(8-9-20(18)34-4)30-25(33)29-16-7-5-6-15(3)10-16/h5-14H,1-4H3,(H2,26,27,28)(H2,29,30,33)