1-[2-(6-aminopurin-9-yl)ethyl]-3-phenyl-thiourea

Systemtic Name: 1-[2-(6-aminopurin-9-yl)ethyl]-3-phenyl-thiourea Openeye Name: 1-[2-(6-aminopurin-9-yl)ethyl]-3-phenyl-thiourea CAS Name: 1-[2-(6-aminopurin-9-yl)ethyl]-3-phenylthiourea IUPAC Name: 1-[2-(6-aminopurin-9-yl)ethyl]-3-phenylthiourea Traditional Name: 1-(2-adenin-9-ylethyl)-3-phenyl-thiourea Formula: C14H15N7S MolecularWeight: 313.3808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NCCN2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NCCN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C14H15N7S/c15-12-11-13(18-8-17-12)21(9-19-11)7-6-16-14(22)20-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,15,17,18)(H2,16,20,22)