methyl 3-[[(2-azanyl-5,6,7,8-tetrahydroquinazolin-6-yl)-ethyl-amino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: methyl 3-[[(2-azanyl-5,6,7,8-tetrahydroquinazolin-6-yl)-ethyl-amino]methyl]pyrrolidine-1-carboxylate Openeye Name: methyl 3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-ethyl-amino]methyl]pyrrolidine-1-carboxylate CAS Name: 3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-ethylamino]methyl]-1-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-ethylamino]methyl]pyrrolidine-1-carboxylate Traditional Name: 3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-ethyl-amino]methyl]pyrrolidine-1-carboxylic acid methyl ester Formula: C17H27N5O2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCN(C1)C(=O)OC)C2CCC3=NC(=NC=C3C2)N

Isomeric SMILES

CCN(CC1CCN(C1)C(=O)OC)C2CCC3=NC(=NC=C3C2)N

InChI

InChI=1S/C17H27N5O2/c1-3-21(10-12-6-7-22(11-12)17(23)24-2)14-4-5-15-13(8-14)9-19-16(18)20-15/h9,12,14H,3-8,10-11H2,1-2H3,(H2,18,19,20)