N4-(1,3-benzothiazol-2-yl)-N6-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(2-oxolanylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzothiazol-2-ylamino)pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C16H18N6OS MolecularWeight: 342.41872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2N)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2N)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H18N6OS/c17-13-14(18-8-10-4-3-7-23-10)19-9-20-15(13)22-16-21-11-5-1-2-6-12(11)24-16/h1-2,5-6,9-10H,3-4,7-8,17H2,(H2,18,19,20,21,22)