1-[4-(4-azanyl-6-methyl-thieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-bromophenyl)urea

Systemtic Name: 1-[4-(4-azanyl-6-methyl-thieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-bromophenyl)urea Openeye Name: 1-[4-(4-amino-6-methyl-thieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-bromophenyl)urea CAS Name: 1-[4-(4-amino-6-methyl-5-thieno[2,3-d]pyrimidinyl)phenyl]-3-(3-bromophenyl)urea IUPAC Name: 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-bromophenyl)urea Traditional Name: 1-[4-(4-amino-6-methyl-thieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-bromophenyl)urea Formula: C20H16BrN5OS MolecularWeight: 454.34294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)N)C3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)N)C3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H16BrN5OS/c1-11-16(17-18(22)23-10-24-19(17)28-11)12-5-7-14(8-6-12)25-20(27)26-15-4-2-3-13(21)9-15/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)