4-chloranyl-6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyrimidin-2-amine

Systemtic Name: 4-chloranyl-6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyrimidin-2-amine Openeye Name: 4-chloro-6-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]pyrimidin-2-amine CAS Name: 4-chloro-6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-2-pyrimidinamine IUPAC Name: 4-chloro-6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyrimidin-2-amine Traditional Name: [4-chloro-6-[4-(2-thenyl)-1,4-diazepan-1-yl]pyrimidin-2-yl]amine Formula: C14H18ClN5S MolecularWeight: 323.84422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CC(=NC(=N2)N)Cl)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C2=CC(=NC(=N2)N)Cl)CC3=CC=CS3

InChI

InChI=1S/C14H18ClN5S/c15-12-9-13(18-14(16)17-12)20-5-2-4-19(6-7-20)10-11-3-1-8-21-11/h1,3,8-9H,2,4-7,10H2,(H2,16,17,18)