3-azanyl-N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]propanamide

Systemtic Name: 3-azanyl-N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]propanamide Openeye Name: 3-amino-N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]propanamide CAS Name: 3-amino-N-[4-[2-(1,3-benzothiazol-6-ylamino)-4-pyrimidinyl]phenyl]propanamide IUPAC Name: 3-amino-N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]propanamide Traditional Name: 3-amino-N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]propionamide Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC4=C(C=C3)N=CS4)NC(=O)CCN

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC4=C(C=C3)N=CS4)NC(=O)CCN

InChI

InChI=1S/C20H18N6OS/c21-9-7-19(27)24-14-3-1-13(2-4-14)16-8-10-22-20(26-16)25-15-5-6-17-18(11-15)28-12-23-17/h1-6,8,10-12H,7,9,21H2,(H,24,27)(H,22,25,26)