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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-(2-furylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-(2-furanylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(2-furfuryl)amine Formula: C16H15N5O3 MolecularWeight: 325.322

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NCC4=CC=CO4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NCC4=CC=CO4)N

InChI

InChI=1S/C16H15N5O3/c17-14-15(18-7-11-2-1-5-22-11)19-8-20-16(14)21-10-3-4-12-13(6-10)24-9-23-12/h1-6,8H,7,9,17H2,(H2,18,19,20,21)