2-(1,3-benzothiazol-6-ylamino)-6-[(phenylmethyl)-pyrrolidin-3-yl-amino]-1H-1,3,5-triazin-4-one

Systemtic Name: 2-(1,3-benzothiazol-6-ylamino)-6-[(phenylmethyl)-pyrrolidin-3-yl-amino]-1H-1,3,5-triazin-4-one Openeye Name: 2-(1,3-benzothiazol-6-ylamino)-6-[benzyl(pyrrolidin-3-yl)amino]-1H-1,3,5-triazin-4-one CAS Name: 2-(1,3-benzothiazol-6-ylamino)-6-[(phenylmethyl)-(3-pyrrolidinyl)amino]-1H-1,3,5-triazin-4-one IUPAC Name: 2-(1,3-benzothiazol-6-ylamino)-6-[benzyl(pyrrolidin-3-yl)amino]-1H-1,3,5-triazin-4-one Traditional Name: 2-(1,3-benzothiazol-6-ylamino)-6-[benzyl(pyrrolidin-3-yl)amino]-1H-s-triazin-4-one Formula: C21H21N7OS MolecularWeight: 419.50274

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1N(CC2=CC=CC=C2)C3=NC(=O)N=C(N3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CNCC1N(CC2=CC=CC=C2)C3=NC(=O)N=C(N3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C21H21N7OS/c29-21-26-19(24-15-6-7-17-18(10-15)30-13-23-17)25-20(27-21)28(16-8-9-22-11-16)12-14-4-2-1-3-5-14/h1-7,10,13,16,22H,8-9,11-12H2,(H2,24,25,26,27,29)