3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide

Systemtic Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide Openeye Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 3-[[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]amino]-N-[(3S)-2-oxo-3-azepanyl]benzamide IUPAC Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]benzamide Traditional Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-[(3S)-2-ketoazepan-3-yl]benzamide Formula: C24H23N7O2S MolecularWeight: 473.55012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C24H23N7O2S/c32-22(30-19-6-1-2-10-25-23(19)33)15-4-3-5-16(12-15)29-24-26-11-9-21(31-24)28-17-7-8-18-20(13-17)34-14-27-18/h3-5,7-9,11-14,19H,1-2,6,10H2,(H,25,33)(H,30,32)(H2,26,28,29,31)/t19-/m0/s1