N4-(1,3-benzodioxol-5-yl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-[2-(2-thienyl)ethyl]pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NCCC4=CC=CS4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NCCC4=CC=CS4)N

InChI

InChI=1S/C17H17N5O2S/c18-15-16(19-6-5-12-2-1-7-25-12)20-9-21-17(15)22-11-3-4-13-14(8-11)24-10-23-13/h1-4,7-9H,5-6,10,18H2,(H2,19,20,21,22)