[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-thiomorpholin-4-yl-methanone Openeye Name: [1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-thiomorpholino-methanone CAS Name: [1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-cyclopropyl-4-pyrazolyl]-thiomorpholin-4-ylmethanone IUPAC Name: [1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropylpyrazol-4-yl]-thiomorpholin-4-ylmethanone Traditional Name: [1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-thiomorpholino-methanone Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)N6CCSCC6

Isomeric SMILES

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)N6CCSCC6

InChI

InChI=1S/C22H21N5O3S/c28-21(26-7-9-31-10-8-26)16-12-24-27(20(16)14-1-2-14)22-23-6-5-17(25-22)15-3-4-18-19(11-15)30-13-29-18/h3-6,11-12,14H,1-2,7-10,13H2