5-azanyl-3-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[3-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]propyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C21H21N7S MolecularWeight: 403.50334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4)C

InChI

InChI=1S/C21H21N7S/c1-13-14(2)29-21-18(13)20(25-12-26-21)24-10-6-9-17-16(11-22)19(23)28(27-17)15-7-4-3-5-8-15/h3-5,7-8,12H,6,9-10,23H2,1-2H3,(H,24,25,26)