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4-(azepan-4-yl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine
4-(azepan-4-yl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine
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Descriptors Computed from Structure
Canonical SMILES:
C1CC(CCNC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC=CC=C4
Isomeric SMILES
C1CC(CCNC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC=CC=C4
InChI
InChI=1S/C21H29N5/c1-2-5-17(6-3-1)15-26-14-10-19(16-26)24-21-23-13-9-20(25-21)18-7-4-11-22-12-8-18/h1-3,5-6,9,13,18-19,22H,4,7-8,10-12,14-16H2,(H,23,24,25)
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