5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmethyl)pyrimidine-2,4-diamine

Systemtic Name: 5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmethyl)pyrimidine-2,4-diamine Openeye Name: 5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmethyl)pyrimidine-2,4-diamine CAS Name: 5-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]ylmethyl)pyrimidine-2,4-diamine IUPAC Name: 5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmethyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmethyl)pyrimidin-4-yl]amine Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)CC4=CN=C(N=C4N)N

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)CC4=CN=C(N=C4N)N

InChI

InChI=1S/C16H18N4O2/c17-14-11(9-19-15(18)20-14)7-10-3-4-12-13(8-10)22-16(21-12)5-1-2-6-16/h3-4,8-9H,1-2,5-7H2,(H4,17,18,19,20)